Cefonicid

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Properties Simple | Detailed

Formula C18H20N6O8S3
IUPAC Name (6r,7r)-7-[[(2r)-2-hydroxy-2-phenyl-acetyl]amino]-8-oxo-3-[[1-(sulfonatomethyl)-2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 544.582 g·mol−1
Heat of Formation -750.8 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 560.12 Å 3
Surface Area 463.04 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2r)-2-hydroxy-1-oxo-2-phenylethyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-5-tetrazolyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-hydroxy-2-phenyl-acetyl]amino]-8-keto-3-[[[1-(sulfomethyl)tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-hydroxy-2-phenyl-acetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-hydroxy-2-phenyl-ethanoyl]amino]-8-oxo-3-[[1-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1h-tetrazol-5-yl]thio}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey DYAIAHUQIPBDIP-AXAPSJFSSA-N
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